SCHEMBL18654126

SCHEMBL18654126

Nc1ccc(-c2ccc(OC(F)(F)F)cc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.56
ALOX5AP P20292 1/20 0.48
FEN1 P39748 1/20 0.48
PIK3CD O00329 2/20 0.47
SCN10A Q9Y5Y9 5/20 0.47
SCN5A Q14524 4/20 0.47
KCNH2 Q12809 3/20 0.47
SCN1A P35498 1/20 0.47
SCN9A Q15858 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN8A Q9UQD0 1/20 0.47
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
CCNT1 O60563 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK9 P50750 1/20 0.43
MAP4K4 O95819 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29603339 0.85 ALOX5AP (0.49) LTA4HALOX5APFEN1SCN10ASCN5A
SCHEMBL2305476 0.85 ALOX5AP (0.49) LTA4HALOX5APFEN1SCN10ASCN5A
SCHEMBL1333400 0.84 ABL1 (0.53) SCN10ASCN5AKCNH2SCN1ASCN9A
Hydrochloric Acid SCHEMBL27039157 0.83 ALOX5AP (0.48) LTA4HALOX5APFEN1SCN10ASCN5A
SCHEMBL4025534 0.82 MAP4K4 (0.57) LTA4HALOX5APFEN1PIK3CDSCN10A
SCHEMBL23204199 0.82 KCNH2 (0.51) LTA4HALOX5APFEN1SCN10ASCN5A
SCHEMBL17157363 0.80 SCN5A (0.48) SCN10ASCN5AKCNH2SCN1ASCN9A
SCHEMBL1227164 0.80 CHRM5 (0.52) SCN10ASCN5AKCNH2SCN1ASCN9A
SCHEMBL1742853 0.79 CHRM5 (0.54) PIK3CDSCN10ASCN5AKCNH2SCN1A
SCHEMBL3265605 0.79 MEN1 (0.47) SCN10ASCN5AKCNH2SCN1ASCN9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802914-B2 Antifungal compound process VIAMET PHARMACEUTICALS, INC. (US) 2017-10-31 US disclosed
US-20170081309-A1 ANTIFUNGAL COMPOUND PROCESS Mycovia Pharmaceuticals, Inc. 2017-03-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170081309-A1 ANTIFUNGAL COMPOUND PROCESS ERG28, DPM1, CYP51A1 LTA4H 993/4885ALOX5AP 1967/4885FEN1 572/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.